Match comparison for Exchange energy (match type 12054)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.198630448000000e+01 2.160000000000000e-06 -9.198630434750001e+01 9.921567158690772e-08 -9.198630434000000e+01 1.399999973727972e-07 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -91.98630448, precision: 0.00000216
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2023a_serial_min -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2022a_serial_opt -9.198630436000001e+01 1.199999957179898e-07 5.555555357314343e-02 PASS
spack_foss-2022a_serial -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2022a_ppc -9.198630434000000e+01 1.399999973727972e-07 6.481481359851723e-02 PASS
spack_foss-2022a_mpi_min -9.198630437000000e+01 1.100000019960135e-07 5.092592685000623e-02 PASS
spack_foss-2023a_mpi_min -9.198630437000000e+01 1.100000019960135e-07 5.092592685000623e-02 PASS
spack_foss-2022a_serial_debug -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2022a_mpi_opt -9.198630441000000e+01 6.999999868639861e-08 3.240740679925862e-02 PASS
spack_intel-2022a_serial_omp -9.198630438000001e+01 9.999999406318238e-08 4.629629354776962e-02 PASS
spack_foss-2022a_mpi -9.198630448000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -9.198630432000000e+01 1.599999990276046e-07 7.407407362389104e-02 PASS
spack_intel-2023a_impi -9.198630448000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_debug -9.198630432000000e+01 1.599999990276046e-07 7.407407362389104e-02 PASS
spack_foss-2022a_cuda_mpi_omp -9.198630446999999e+01 1.000000793283107e-08 4.629633302236605e-03 PASS
spack_intel-2022a_impi_omp -9.198630446000000e+01 2.000000165480742e-08 9.259260025373806e-03 PASS